Icosabutate
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid
Molecular Identity
Icosabutate
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid
PubChem CID: 78210211
2D Structure
Properties
C24H38O3
Molecular Formula
374.60
Molecular Weight
g/mol
374.2821
Exact Mass
Da
6.8
XLogP
Above Lipinski threshold
46.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
484
Complexity
SMILES
Canonical SMILES
SMILES: CCC=CCC=CCC=CCC=CCC=CCCCCOC(CC)C(=O)OIsomeric SMILES
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CC)C(=O)OSynonyms(20)
Icosabutate1253909-57-7PRC-4016Icosabutato562599X5JLNST-4016PRB-01022Butanoic acid, 2-((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaen-1-yloxy)-Rac-2-((5Z,8Z,11Z,14Z,17Z)icosa-5,8,11,14,17-pentaen-1-yloxy)butanoic acid2-((5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaen-1-yloxy)butanoic acidicosabutasrac-2-[(5Z,8Z,11Z,14Z,17Z)Icosa-5,8,11,14,17-pentaen-1-yloxy]butanoic acidRefChem:789656Icosabutate [INN]Icosabutate [WHO-DD]
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Icosabutate
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